logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC05722592

 MMsINC code: MMs02489445
Type: Neutral
Formula: C26H34N2O4
SMILES:   O(C(=O)C1N(CCC1)CC(NC(OC(C)(C)C)=O)Cc1ccccc1)Cc1ccccc1
InChI:   InChI=1/C26H34N2O4/c1-26(2,3)32-25(30)27-22(17-20-11-6-4-7-12-20)18-28-16-10-15-23(28)24(29)31-19-21-13-8-5-9-14-21/h4-9,11-14,22-23H,10,15-19H2,1-3H3,(H,27,30)/t22-,23-/m0/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=104.143 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.568 g/mol  logS: -5.27727  SlogP: 4.59657  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0762305  Sterimol/B1: 2.28124  Sterimol/B2: 2.80824  Sterimol/B3: 5.87707
  Sterimol/B4: 8.57337  Sterimol/L: 19.6206 
 
 Surface and Volume Properties
  Accessible surface: 758.252  Positive charged surface: 505.444  Negative charged surface: 252.808  Volume: 451.125
  Hydrophobic surface: 660.913  Hydrophilic surface: 97.339
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02489446
NCID-ZINC05722592